SCHEMBL3138285

SCHEMBL3138285

CN(C(=O)O)C1(COc2cncc(-c3cc(Cl)ccc3Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNB3 Q05901 2/20 0.40
INPPL1 O15357 5/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3155835 0.88 CHRNB1 (0.44) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3141913 0.85 XDH (0.42)
SCHEMBL3779004 0.85 CHRNB1 (0.37) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3150665 0.85 CYP11B2 (0.35) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3151280 0.84 NR1H4 (0.39)
SCHEMBL3151299 0.82 ABL1 (0.37)
SCHEMBL3146952 0.82 CHRNB2 (0.44) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3141489 0.82 CHRNB2 (0.46) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3772192 0.81 CHRNB2 (0.43) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3146037 0.80 MAP4K4 (0.45) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979321-B9 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2010-02-17 EP disclosed
EP-1979321-B1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2009-07-29 EP disclosed